5-(benzimidazol-5-ylidenemethyl)-2-benzylimino-3-(4-fluorophenyl)-1,3-thiazol-4-ol

C24H17FN4OS — CID 154467878

IUPAC5-(benzimidazol-5-ylidenemethyl)-2-benzylimino-3-(4-fluorophenyl)-1,3-thiazol-4-ol
SMILESOc1c(C=c2ccc3c(c2)N=CN=3)s/c(=N\Cc2ccccc2)n1-c1ccc(F)cc1
InChIInChI=1S/C24H17FN4OS/c25-18-7-9-19(10-8-18)29-23(30)22(13-17-6-11-20-21(12-17)28-15-27-20)31-24(29)26-14-16-4-2-1-3-5-16/h1-13,15,30H,14H2/b17-13?,26-24-
InChIKeyLTWDETZDMMGKNJ-FVWKJGIGSA-N
MW428.49 g/mol
LogP3.61
Rot. Bonds4

About 5-(benzimidazol-5-ylidenemethyl)-2-benzylimino-3-(4-fluorophenyl)-1,3-thiazol-4-ol

5-(benzimidazol-5-ylidenemethyl)-2-benzylimino-3-(4-fluorophenyl)-1,3-thiazol-4-ol (PubChem CID 154467878) has the molecular formula C24H17FN4OS and a molecular weight of 428.49 g/mol. Its IUPAC name is 5-(benzimidazol-5-ylidenemethyl)-2-benzylimino-3-(4-fluorophenyl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name5-(benzimidazol-5-ylidenemethyl)-2-benzylimino-3-(4-fluorophenyl)-1,3-thiazol-4-ol
PubChem CID154467878
Molecular FormulaC24H17FN4OS
Molecular Weight428.49 g/mol
Exact Mass428.11
IUPAC Name5-(benzimidazol-5-ylidenemethyl)-2-benzylimino-3-(4-fluorophenyl)-1,3-thiazol-4-ol
SMILESOc1c(C=c2ccc3c(c2)N=CN=3)s/c(=N\Cc2ccccc2)n1-c1ccc(F)cc1
InChIInChI=1S/C24H17FN4OS/c25-18-7-9-19(10-8-18)29-23(30)22(13-17-6-11-20-21(12-17)28-15-27-20)31-24(29)26-14-16-4-2-1-3-5-16/h1-13,15,30H,14H2/b17-13?,26-24-
InChIKeyLTWDETZDMMGKNJ-FVWKJGIGSA-N
XLogP3.61
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-5-ylidenemethyl)-2-benzylimino-3-(4-fluorophenyl)-1,3-thiazol-4-ol?
The IUPAC name of 5-(benzimidazol-5-ylidenemethyl)-2-benzylimino-3-(4-fluorophenyl)-1,3-thiazol-4-ol (CID 154467878) is 5-(benzimidazol-5-ylidenemethyl)-2-benzylimino-3-(4-fluorophenyl)-1,3-thiazol-4-ol.
What is the SMILES notation for 5-(benzimidazol-5-ylidenemethyl)-2-benzylimino-3-(4-fluorophenyl)-1,3-thiazol-4-ol?
The canonical SMILES for 5-(benzimidazol-5-ylidenemethyl)-2-benzylimino-3-(4-fluorophenyl)-1,3-thiazol-4-ol is Oc1c(C=c2ccc3c(c2)N=CN=3)s/c(=N\Cc2ccccc2)n1-c1ccc(F)cc1.
What is the InChIKey of 5-(benzimidazol-5-ylidenemethyl)-2-benzylimino-3-(4-fluorophenyl)-1,3-thiazol-4-ol?
The InChIKey is LTWDETZDMMGKNJ-FVWKJGIGSA-N. The full InChI is InChI=1S/C24H17FN4OS/c25-18-7-9-19(10-8-18)29-23(30)22(13-17-6-11-20-21(12-17)28-15-27-20)31-24(29)26-14-16-4-2-1-3-5-16/h1-13,15,30H,14H2/b17-13?,26-24-.
What are the key properties of 5-(benzimidazol-5-ylidenemethyl)-2-benzylimino-3-(4-fluorophenyl)-1,3-thiazol-4-ol?
5-(benzimidazol-5-ylidenemethyl)-2-benzylimino-3-(4-fluorophenyl)-1,3-thiazol-4-ol has a molecular weight of 428.49 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-5-ylidenemethyl)-2-benzylimino-3-(4-fluorophenyl)-1,3-thiazol-4-ol is sourced from PubChem (CID 154467878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).